REMARK Name = BDB024437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.123 -0.324 -0.040 0.00 0.00 +0.240 C ATOM 2 N LIG 1 0.798 0.436 -0.729 0.00 0.00 -0.269 N ATOM 3 H LIG 1 0.477 1.144 -1.375 0.00 0.00 +0.156 HD ATOM 4 O LIG 1 0.147 -1.207 0.775 0.00 0.00 -0.273 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 2.188 0.389 -0.657 0.00 0.00 +0.125 A ATOM 6 N LIG 1 2.790 1.312 -1.437 0.00 0.00 -0.240 NA ATOM 7 C LIG 1 4.147 1.349 -1.429 0.00 0.00 +0.121 A ATOM 8 C LIG 1 4.954 0.501 -0.680 0.00 0.00 +0.003 A ATOM 9 C LIG 1 4.302 -0.444 0.112 0.00 0.00 +0.013 A ATOM 10 C LIG 1 2.905 -0.502 0.126 0.00 0.00 +0.044 A BRANCH 8 11 ATOM 11 C LIG 1 6.399 0.609 -0.721 0.00 0.00 +0.021 A ATOM 12 C LIG 1 7.279 -0.443 -0.573 0.00 0.00 +0.117 A ATOM 13 N LIG 1 8.534 0.082 -0.698 0.00 0.00 -0.262 N ATOM 14 N LIG 1 8.535 1.417 -0.908 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 7.236 1.729 -0.929 0.00 0.00 +0.143 A BRANCH 13 16 ATOM 16 C LIG 1 9.791 -0.638 -0.648 0.00 0.00 +0.238 C BRANCH 16 17 ATOM 17 C LIG 1 10.468 -0.463 0.688 0.00 0.00 +0.232 C ATOM 18 O LIG 1 10.708 -1.400 1.445 0.00 0.00 -0.274 OA ATOM 19 N LIG 1 10.864 0.808 1.001 0.00 0.00 -0.328 N ATOM 20 H LIG 1 11.209 0.956 1.940 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 10.386 1.591 0.555 0.00 0.00 +0.145 HD ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 8 11 ENDBRANCH 2 5 BRANCH 1 22 ATOM 22 C LIG 1 -1.600 0.032 -0.399 0.00 0.00 +0.171 C BRANCH 22 23 ATOM 23 C LIG 1 -2.118 -0.900 -1.486 0.00 0.00 -0.022 A ATOM 24 C LIG 1 -2.598 -0.368 -2.694 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -3.079 -1.209 -3.700 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -3.089 -2.589 -3.512 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -2.621 -3.131 -2.318 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -2.139 -2.293 -1.310 0.00 0.00 +0.005 A ENDBRANCH 22 23 BRANCH 22 29 ATOM 29 N LIG 1 -2.393 0.006 0.849 0.00 0.00 -0.301 NA ATOM 30 H LIG 1 -2.286 -0.915 1.276 0.00 0.00 +0.123 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.808 0.334 0.664 0.00 0.00 +0.089 C BRANCH 31 33 ATOM 32 C LIG 1 -3.987 1.606 2.877 0.00 0.00 +0.014 C ATOM 33 C LIG 1 -4.536 0.453 2.026 0.00 0.00 +0.030 C BRANCH 33 34 ATOM 34 C LIG 1 -6.041 0.590 1.834 0.00 0.00 -0.043 A ATOM 35 C LIG 1 -6.896 -0.410 2.322 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -8.281 -0.306 2.164 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -8.831 0.800 1.511 0.00 0.00 +0.052 A ATOM 38 C LIG 1 -7.989 1.802 1.019 0.00 0.00 +0.019 A ATOM 39 C LIG 1 -6.604 1.697 1.179 0.00 0.00 +0.005 A BRANCH 37 40 ATOM 40 C LIG 1 -10.252 0.908 1.354 0.00 0.00 +0.099 C ATOM 41 N LIG 1 -11.404 0.992 1.232 0.00 0.00 -0.191 NA ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 29 31 ENDBRANCH 22 29 ENDBRANCH 1 22 TORSDOF 11